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Decreasing temperature enhances the formation of sixfold hydrogen bonded rings in water-rich water-methanol mixtures
The evolution of the structure of liquid water-methanol mixtures as a function of temperature has been studied by molecular dynamics simulations, with a focus on hydrogen bonding. The combination of the OPLS-AA (all atom) potential model of methanol and the widely used SPC/E water model has provided...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5430766/ https://www.ncbi.nlm.nih.gov/pubmed/28432304 http://dx.doi.org/10.1038/s41598-017-01095-7 |